4-[[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[[(1S)-1-carbamoyl-3-methyl-butyl]-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[[(1S)-1-carbamoyl-3-methyl-butyl]-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)N(CC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)N(CC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H23ClN2O5S/c1-13(2)11-18(19(22)24)23(12-14-3-5-15(6-4-14)20(25)26)29(27,28)17-9-7-16(21)8-10-17/h3-10,13,18H,11-12H2,1-2H3,(H2,22,24)(H,25,26)/t18-/m0/s1